hydrogen sulfite;pentane-1,3-diamine

C5H15N2O3S- — CID 174426349

IUPAChydrogen sulfite;pentane-1,3-diamine
SMILESCCC(N)CCN.O=S([O-])O
InChIInChI=1S/C5H14N2.H2O3S/c1-2-5(7)3-4-6;1-4(2)3/h5H,2-4,6-7H2,1H3;(H2,1,2,3)/p-1
InChIKeyHJICTRDQNRPFRN-UHFFFAOYSA-M
MW183.25 g/mol
LogP-0.59
Rot. Bonds3

About hydrogen sulfite;pentane-1,3-diamine

hydrogen sulfite;pentane-1,3-diamine (PubChem CID 174426349) has the molecular formula C5H15N2O3S- and a molecular weight of 183.25 g/mol. Its IUPAC name is hydrogen sulfite;pentane-1,3-diamine.

Molecular Properties

Compound Namehydrogen sulfite;pentane-1,3-diamine
PubChem CID174426349
Molecular FormulaC5H15N2O3S-
Molecular Weight183.25 g/mol
Exact Mass183.08
IUPAC Namehydrogen sulfite;pentane-1,3-diamine
SMILESCCC(N)CCN.O=S([O-])O
InChIInChI=1S/C5H14N2.H2O3S/c1-2-5(7)3-4-6;1-4(2)3/h5H,2-4,6-7H2,1H3;(H2,1,2,3)/p-1
InChIKeyHJICTRDQNRPFRN-UHFFFAOYSA-M
XLogP-0.59
TPSA112.40 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.25
LogP ≤ 5-0.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'sulfinic_acid', 'substructure': 'N/A'}

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Related Compounds

azane;butane-1,3-diamine;pentane-1,3-diamine
CID 174966617
heptane-1,3,5-triamine
CID 89360326
hexane-1,4-diamine;hydrochloride
CID 118144198
hexane-1,4-diamine;trihydrate
CID 173409010
tetradecane-3,6,9,12-tetramine
CID 140993886
potassium;butane;hydrogen sulfite
CID 174393404
4-aminohexane-1,1-diol
CID 91042814
octane-1,3,6,8-tetramine
CID 18680656
ethane;(5R)-heptane-1,3,5,7-tetramine
CID 142330050
ethane;hexan-3-amine
CID 143616305
6-butan-2-ylsulfinylhexan-3-amine
CID 106807943
hydrogen sulfite;3-methyldecane;yttrium
CID 59289682

Frequently Asked Questions

What is the IUPAC name of hydrogen sulfite;pentane-1,3-diamine?
The IUPAC name of hydrogen sulfite;pentane-1,3-diamine (CID 174426349) is hydrogen sulfite;pentane-1,3-diamine.
What is the SMILES notation for hydrogen sulfite;pentane-1,3-diamine?
The canonical SMILES for hydrogen sulfite;pentane-1,3-diamine is CCC(N)CCN.O=S([O-])O.
What is the InChIKey of hydrogen sulfite;pentane-1,3-diamine?
The InChIKey is HJICTRDQNRPFRN-UHFFFAOYSA-M. The full InChI is InChI=1S/C5H14N2.H2O3S/c1-2-5(7)3-4-6;1-4(2)3/h5H,2-4,6-7H2,1H3;(H2,1,2,3)/p-1.
What are the key properties of hydrogen sulfite;pentane-1,3-diamine?
hydrogen sulfite;pentane-1,3-diamine has a molecular weight of 183.25 g/mol, XLogP of -0.59, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for hydrogen sulfite;pentane-1,3-diamine is sourced from PubChem (CID 174426349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).